(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

C7H12N2 — CID 10877110

IUPAC(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESC[C@H]1CC(N)=N[C@H]2C[C@H]21
InChIInChI=1S/C7H12N2/c1-4-2-7(8)9-6-3-5(4)6/h4-6H,2-3H2,1H3,(H2,8,9)/t4-,5-,6-/m0/s1
InChIKeyHHTOICSRLVTROD-ZLUOBGJFSA-N
MW124.19 g/mol
LogP0.77
Rot. Bonds

About (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (PubChem CID 10877110) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.

Molecular Properties

Compound Name(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
PubChem CID10877110
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESC[C@H]1CC(N)=N[C@H]2C[C@H]21
InChIInChI=1S/C7H12N2/c1-4-2-7(8)9-6-3-5(4)6/h4-6H,2-3H2,1H3,(H2,8,9)/t4-,5-,6-/m0/s1
InChIKeyHHTOICSRLVTROD-ZLUOBGJFSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The IUPAC name of (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (CID 10877110) is (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.
What is the SMILES notation for (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The canonical SMILES for (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is C[C@H]1CC(N)=N[C@H]2C[C@H]21.
What is the InChIKey of (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The InChIKey is HHTOICSRLVTROD-ZLUOBGJFSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-2-7(8)9-6-3-5(4)6/h4-6H,2-3H2,1H3,(H2,8,9)/t4-,5-,6-/m0/s1.
What are the key properties of (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine has a molecular weight of 124.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is sourced from PubChem (CID 10877110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).